ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

C13H16FNO4 — CID 103829871

IUPACethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-5-4-9(14)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyQEUFSIHZSXCLGJ-UHFFFAOYSA-N
MW269.27 g/mol
LogP1.56
Rot. Bonds5

About ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate

ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (PubChem CID 103829871) has the molecular formula C13H16FNO4 and a molecular weight of 269.27 g/mol. Its IUPAC name is ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.

Molecular Properties

Compound Nameethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
PubChem CID103829871
Molecular FormulaC13H16FNO4
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Nameethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate
SMILESCCOC(=O)CCN(C)C(=O)c1ccc(F)cc1O
InChIInChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-5-4-9(14)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3
InChIKeyQEUFSIHZSXCLGJ-UHFFFAOYSA-N
XLogP1.56
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-fluoro-2-hydroxy-N-methylbenzamide
CID 103829638
ethyl 3-[(2-fluoro-6-hydroxybenzoyl)-methylamino]propanoate
CID 104917099
2-[(4-fluoro-2-hydroxybenzoyl)-methylamino]acetic acid
CID 107013339
ethyl 3-[(2-chloro-3-fluorobenzoyl)-methylamino]propanoate
CID 79035694
4-fluoro-2-hydroxy-N-methyl-N-prop-2-ynylbenzamide
CID 103527334
4-fluoro-2-hydroxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 103829572
4-fluoro-2-hydroxy-N-methyl-N-[2-(methylamino)-2-oxoethyl]benzamide
CID 113304528
N-(2-bromopropyl)-4-fluoro-2-hydroxy-N-methylbenzamide
CID 107016758
ethyl 3-[[2-(aminomethyl)-4-fluorophenyl]methyl-methylamino]propanoate
CID 63380921
N-(2-bromoethyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 115299557
4-fluoro-2-hydroxy-N-(2-hydroxy-3-methoxypropyl)-N-methylbenzamide
CID 103863065
N-(5-aminopentyl)-5-fluoro-2-hydroxy-N-methylbenzamide
CID 107206606

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The IUPAC name of ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate (CID 103829871) is ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate.
What is the SMILES notation for ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The canonical SMILES for ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is CCOC(=O)CCN(C)C(=O)c1ccc(F)cc1O.
What is the InChIKey of ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
The InChIKey is QEUFSIHZSXCLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO4/c1-3-19-12(17)6-7-15(2)13(18)10-5-4-9(14)8-11(10)16/h4-5,8,16H,3,6-7H2,1-2H3.
What are the key properties of ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate?
ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate has a molecular weight of 269.27 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[(4-fluoro-2-hydroxybenzoyl)-methylamino]propanoate is sourced from PubChem (CID 103829871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).